SCHEMBL3864985

SCHEMBL3864985

COc1cc(F)c2ccc(=O)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 7/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.41
GLA P06280 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DYRK1A Q13627 1/20 0.40
TNKS2 Q9H2K2 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12002193 0.81 KDM4E (0.78) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B
SCHEMBL2798796 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B
SCHEMBL12002191 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B
SCHEMBL30908532 0.77 TNKS2 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B
SCHEMBL30810554 0.77 TNKS2 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B
SCHEMBL705758 0.77 TNKS2 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B
SCHEMBL14279689 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B
SCHEMBL2797608 0.75 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL25904127 0.75 PDE3B (0.50) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B
SCHEMBL706591 0.74 PDE3B (0.43) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP claimed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO claimed